# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Cu2PbTi # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.139401291e+02 2.139401291e+02 1.30 1.985341760e+02 1.985341760e+02 1.32 1.842593850e+02 1.842593850e+02 1.34 1.710261139e+02 1.710261139e+02 1.36 1.587515212e+02 1.587515212e+02 1.38 1.473591650e+02 1.473591650e+02 1.40 1.367790343e+02 1.367790343e+02 1.42 1.269476306e+02 1.269476306e+02 1.44 1.178076134e+02 1.178076134e+02 1.46 1.093070816e+02 1.093070816e+02 1.48 1.013987610e+02 1.013987610e+02 1.50 9.403927368e+01 9.403927368e+01 1.52 8.718854218e+01 8.718854218e+01 1.54 8.080924581e+01 8.080924581e+01 1.56 7.486636217e+01 7.486636217e+01 1.58 6.932705978e+01 6.932705978e+01 1.60 6.416101775e+01 6.416101775e+01 1.62 5.934092211e+01 5.934092211e+01 1.64 5.484268056e+01 5.484268056e+01 1.66 5.064521322e+01 5.064521322e+01 1.68 4.673065835e+01 4.673065835e+01 1.70 4.308755767e+01 4.308755767e+01 1.72 3.969945908e+01 3.969945908e+01 1.74 3.654923090e+01 3.654923090e+01 1.76 3.362042343e+01 3.362042343e+01 1.78 3.089741489e+01 3.089741489e+01 1.80 2.836551055e+01 2.836551055e+01 1.82 2.601098949e+01 2.601098949e+01 1.84 2.382112524e+01 2.382112524e+01 1.86 2.178417410e+01 2.178417410e+01 1.88 1.988931106e+01 1.988931106e+01 1.90 1.812651667e+01 1.812651667e+01 1.92 1.648646958e+01 1.648646958e+01 1.94 1.496049893e+01 1.496049893e+01 1.96 1.354058844e+01 1.354058844e+01 1.98 1.221940752e+01 1.221940752e+01 2.00 1.099029880e+01 1.099029880e+01 2.02 9.847199687e+00 9.847199687e+00 2.04 8.784526555e+00 8.784526555e+00 2.06 7.797076623e+00 7.797076623e+00 2.08 6.879976544e+00 6.879976544e+00 2.10 6.028670637e+00 6.028670637e+00 2.12 5.238919722e+00 5.238919722e+00 2.14 4.506783115e+00 4.506783115e+00 2.16 3.828585877e+00 3.828585877e+00 2.18 3.200879797e+00 3.200879797e+00 2.20 2.620408288e+00 2.620408288e+00 2.22 2.084084152e+00 2.084084152e+00 2.24 1.588975654e+00 1.588975654e+00 2.26 1.132295145e+00 1.132295145e+00 2.28 7.113813341e-01 7.113813341e-01 2.30 3.236858756e-01 3.236858756e-01 2.32 -3.324108294e-02 -3.324108294e-02 2.34 -3.617345856e-01 -3.617345856e-01 2.36 -6.639926793e-01 -6.639926793e-01 2.38 -9.420444429e-01 -9.420444429e-01 2.40 -1.197729706e+00 -1.197729706e+00 2.42 -1.432696590e+00 -1.432696590e+00 2.44 -1.648415102e+00 -1.648415102e+00 2.46 -1.846199580e+00 -1.846199580e+00 2.48 -2.027247366e+00 -2.027247366e+00 2.50 -2.192677684e+00 -2.192677684e+00 2.52 -2.343422913e+00 -2.343422913e+00 2.54 -2.480343947e+00 -2.480343947e+00 2.56 -2.604251543e+00 -2.604251543e+00 2.58 -2.715913298e+00 -2.715913298e+00 2.60 -2.816061708e+00 -2.816061708e+00 2.62 -2.905403143e+00 -2.905403143e+00 2.64 -2.984626127e+00 -2.984626127e+00 2.66 -3.054344195e+00 -3.054344195e+00 2.68 -3.115133164e+00 -3.115133164e+00 2.70 -3.167590029e+00 -3.167590029e+00 2.72 -3.212426774e+00 -3.212426774e+00 2.74 -3.250574593e+00 -3.250574593e+00 2.76 -3.282266845e+00 -3.282266845e+00 2.78 -3.307689510e+00 -3.307689510e+00 2.80 -3.327051419e+00 -3.327051419e+00 2.82 -3.340569878e+00 -3.340569878e+00 2.84 -3.348465884e+00 -3.348465884e+00 2.86 -3.350963764e+00 -3.350963764e+00 2.88 -3.348294130e+00 -3.348294130e+00 2.90 -3.340709016e+00 -3.340709016e+00 2.92 -3.328506777e+00 -3.328506777e+00 2.94 -3.312000014e+00 -3.312000014e+00 2.96 -3.291508826e+00 -3.291508826e+00 2.98 -3.267361773e+00 -3.267361773e+00 3.00 -3.239895003e+00 -3.239895003e+00 3.02 -3.209449128e+00 -3.209449128e+00 3.04 -3.176362714e+00 -3.176362714e+00 3.06 -3.140967052e+00 -3.140967052e+00 3.08 -3.103571959e+00 -3.103571959e+00 3.10 -3.064460597e+00 -3.064460597e+00 3.12 -3.023910329e+00 -3.023910329e+00 3.14 -2.982132663e+00 -2.982132663e+00 3.16 -2.939273002e+00 -2.939273002e+00 3.18 -2.895453888e+00 -2.895453888e+00 3.20 -2.850776765e+00 -2.850776765e+00 3.22 -2.805324683e+00 -2.805324683e+00 3.24 -2.759164829e+00 -2.759164829e+00 3.26 -2.712351096e+00 -2.712351096e+00 3.28 -2.664926046e+00 -2.664926046e+00 3.30 -2.616918014e+00 -2.616918014e+00 3.32 -2.568349719e+00 -2.568349719e+00 3.34 -2.519247116e+00 -2.519247116e+00 3.36 -2.469642483e+00 -2.469642483e+00 3.38 -2.419576790e+00 -2.419576790e+00 3.40 -2.369100925e+00 -2.369100925e+00 3.42 -2.318276846e+00 -2.318276846e+00 3.44 -2.267176049e+00 -2.267176049e+00 3.46 -2.215879352e+00 -2.215879352e+00 3.48 -2.164475213e+00 -2.164475213e+00 3.50 -2.113057875e+00 -2.113057875e+00 3.52 -2.061725091e+00 -2.061725091e+00 3.54 -2.010575369e+00 -2.010575369e+00 3.56 -1.959704787e+00 -1.959704787e+00 3.58 -1.909203583e+00 -1.909203583e+00 3.60 -1.859153018e+00 -1.859153018e+00 3.62 -1.809623063e+00 -1.809623063e+00 3.64 -1.760671439e+00 -1.760671439e+00 3.66 -1.712344248e+00 -1.712344248e+00 3.68 -1.664678070e+00 -1.664678070e+00 3.70 -1.617703073e+00 -1.617703073e+00 3.72 -1.571446537e+00 -1.571446537e+00 3.74 -1.525936137e+00 -1.525936137e+00 3.76 -1.481202482e+00 -1.481202482e+00 3.78 -1.437280576e+00 -1.437280576e+00 3.80 -1.394210034e+00 -1.394210034e+00 3.82 -1.352034069e+00 -1.352034069e+00 3.84 -1.310797415e+00 -1.310797415e+00 3.86 -1.270543473e+00 -1.270543473e+00 3.88 -1.231311082e+00 -1.231311082e+00 3.90 -1.193131368e+00 -1.193131368e+00 3.92 -1.156024680e+00 -1.156024680e+00 3.94 -1.120000618e+00 -1.120000618e+00 3.96 -1.085054446e+00 -1.085054446e+00 3.98 -1.051169391e+00 -1.051169391e+00 4.00 -1.018317272e+00 -1.018317272e+00 4.02 -9.864602604e-01 -9.864602604e-01 4.04 -9.555529561e-01 -9.555529561e-01 4.06 -9.255445000e-01 -9.255445000e-01 4.08 -8.963805438e-01 -8.963805438e-01 4.10 -8.680039490e-01 -8.680039490e-01 4.12 -8.403604842e-01 -8.403604842e-01 4.14 -8.133933067e-01 -8.133933067e-01 4.16 -7.870486723e-01 -7.870486723e-01 4.18 -7.612755866e-01 -7.612755866e-01 4.20 -7.360266818e-01 -7.360266818e-01 4.22 -7.112591345e-01 -7.112591345e-01 4.24 -6.869356650e-01 -6.869356650e-01 4.26 -6.630256251e-01 -6.630256251e-01 4.28 -6.395061383e-01 -6.395061383e-01 4.30 -6.163632191e-01 -6.163632191e-01 4.32 -5.935927498e-01 -5.935927498e-01 4.34 -5.712011654e-01 -5.712011654e-01 4.36 -5.492056781e-01 -5.492056781e-01 4.38 -5.276338820e-01 -5.276338820e-01 4.40 -5.065226242e-01 -5.065226242e-01 4.42 -4.859161028e-01 -4.859161028e-01 4.44 -4.658632567e-01 -4.658632567e-01 4.46 -4.464146247e-01 -4.464146247e-01 4.48 -4.276189501e-01 -4.276189501e-01 4.50 -4.095198646e-01 -4.095198646e-01 4.52 -3.921529907e-01 -3.921529907e-01 4.54 -3.755437453e-01 -3.755437453e-01 4.56 -3.597060248e-01 -3.597060248e-01 4.58 -3.446418242e-01 -3.446418242e-01 4.60 -3.303417215e-01 -3.303417215e-01 4.62 -3.167860633e-01 -3.167860633e-01 4.64 -3.039466335e-01 -3.039466335e-01 4.66 -2.917885747e-01 -2.917885747e-01 4.68 -2.802723590e-01 -2.802723590e-01 4.70 -2.693556453e-01 -2.693556453e-01 4.72 -2.589949186e-01 -2.589949186e-01 4.74 -2.491468549e-01 -2.491468549e-01 4.76 -2.397694011e-01 -2.397694011e-01 4.78 -2.308225855e-01 -2.308225855e-01 4.80 -2.222682763e-01 -2.222682763e-01 4.82 -2.140739777e-01 -2.140739777e-01 4.84 -2.062077403e-01 -2.062077403e-01 4.86 -1.986420047e-01 -1.986420047e-01 4.88 -1.913526679e-01 -1.913526679e-01 4.90 -1.843190598e-01 -1.843190598e-01 4.92 -1.775238556e-01 -1.775238556e-01 4.94 -1.709529243e-01 -1.709529243e-01 4.96 -1.645951084e-01 -1.645951084e-01 4.98 -1.584419255e-01 -1.584419255e-01 5.00 -1.524871938e-01 -1.524871938e-01 5.02 -1.467265900e-01 -1.467265900e-01 5.04 -1.411571587e-01 -1.411571587e-01 5.06 -1.357768039e-01 -1.357768039e-01 5.08 -1.305837798e-01 -1.305837798e-01 5.10 -1.255758185e-01 -1.255758185e-01 5.12 -1.207508234e-01 -1.207508234e-01 5.14 -1.161062823e-01 -1.161062823e-01 5.16 -1.116388360e-01 -1.116388360e-01 5.18 -1.073442936e-01 -1.073442936e-01 5.20 -1.032177311e-01 -1.032177311e-01 5.22 -9.925363928e-02 -9.925363928e-02 5.24 -9.544609026e-02 -9.544609026e-02 5.26 -9.178888524e-02 -9.178888524e-02 5.28 -8.827559608e-02 -8.827559608e-02 5.30 -8.489986264e-02 -8.489986264e-02 5.32 -8.165536426e-02 -8.165536426e-02 5.34 -7.853579195e-02 -7.853579195e-02 5.36 -7.553484187e-02 -7.553484187e-02 5.38 -7.264619761e-02 -7.264619761e-02 5.40 -6.986351266e-02 -6.986351266e-02 5.42 -6.718040183e-02 -6.718040183e-02 5.44 -6.459044782e-02 -6.459044782e-02 5.46 -6.208722615e-02 -6.208722615e-02 5.48 -5.966434865e-02 -5.966434865e-02 5.50 -5.731552423e-02 -5.731552423e-02 5.52 -5.503463407e-02 -5.503463407e-02 5.54 -5.281581773e-02 -5.281581773e-02 5.56 -5.065356644e-02 -5.065356644e-02 5.58 -4.854281990e-02 -4.854281990e-02 5.60 -4.647906231e-02 -4.647906231e-02 5.62 -4.445841363e-02 -4.445841363e-02 5.64 -4.247771118e-02 -4.247771118e-02 5.66 -4.053457625e-02 -4.053457625e-02 5.68 -3.862745994e-02 -3.862745994e-02 5.70 -3.675566237e-02 -3.675566237e-02 5.72 -3.491931974e-02 -3.491931974e-02 5.74 -3.311935553e-02 -3.311935553e-02 5.76 -3.135739388e-02 -3.135739388e-02 5.78 -2.963563718e-02 -2.963563718e-02 5.80 -2.795671299e-02 -2.795671299e-02 5.82 -2.632349981e-02 -2.632349981e-02 5.84 -2.473894377e-02 -2.473894377e-02 5.86 -2.320588067e-02 -2.320588067e-02 5.88 -2.172687642e-02 -2.172687642e-02 5.90 -2.030409951e-02 -2.030409951e-02 5.92 -1.893923264e-02 -1.893923264e-02 5.94 -1.763342751e-02 -1.763342751e-02 5.96 -1.638730132e-02 -1.638730132e-02 5.98 -1.520096922e-02 -1.520096922e-02 6.00 -1.407410363e-02 -1.407410363e-02